Computer-Aided Methods for Molecular Classification

نویسندگان

چکیده

The study aims to analyze the degree of similarity some molecules belonging two subgroups Aminoalkylindoles. After extracting molecules’ characteristics using Cheminformatics methods, and computation Tanimoto coefficients, dendrograms heatmaps were built reveal analyzed drugs. Some atom-pair similarities between in same group detected. clusters determined by k-means method divided Benzoylindoles into but kept all Phenylacetylindoles together set. activity spectrum elements each was also analyzed, have been emphasized. clustering has validated Kruskal–Wallis test on series computed probabilities main effects.

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ژورنال

عنوان ژورنال: Mathematics

سال: 2022

ISSN: ['2227-7390']

DOI: https://doi.org/10.3390/math10091543